ethyl 2-[7-dodecyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-dodecyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(7-dodecyl-3-methyl-2,6-dioxo-8-purinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-7-lauryl-3-methyl-purin-8-yl)thio]acetic acid ethyl ester Formula: C22H36N4O4S MolecularWeight: 452.61064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H36N4O4S/c1-4-6-7-8-9-10-11-12-13-14-15-26-18-19(25(3)21(29)24-20(18)28)23-22(26)31-16-17(27)30-5-2/h4-16H2,1-3H3,(H,24,28,29)